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Showing results 1 to 20 of 473  next >
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg15-Mar-2023Ag_CCSDTIeritano, ChristianOrca; 5.0.3; RELEASESingle pointDLPNO-CCSD(T)def2-TZVPP; def2-TZVPP/C-145.88328805; Eh
thumbnail.jpeg15-Mar-2023Ag_FreqIeritano, ChristianOrca; 5.0.3; RELEASESingle point Minimum-def2-TZVPP-146.73022788; Eh
thumbnail.jpeg15-Mar-2023CBC_1Ieritano, ChristianOrca; 5.0.3; RELEASEGeometry optimization Minimum-def2-TZVPP-968.82659653; Eh
thumbnail.jpeg15-Mar-2023CBC_1Ieritano, ChristianOrca; 5.0.3; RELEASESingle pointDLPNO-CCSD(T)def2-TZVPP; def2-TZVPP/C-962.75744375; Eh
thumbnail.jpeg15-Mar-2023CBC_10Ieritano, ChristianOrca; 5.0.3; RELEASESingle pointDLPNO-CCSD(T)def2-TZVPP; def2-TZVPP/C-962.75990847; Eh
thumbnail.jpeg15-Mar-2023CBC_10Ieritano, ChristianOrca; 5.0.3; RELEASEGeometry optimization Minimum-def2-TZVPP-968.82741472; Eh
thumbnail.jpeg15-Mar-2023CBC_15Ieritano, ChristianOrca; 5.0.3; RELEASEGeometry optimization Minimum-def2-TZVPP-968.82472343; Eh
thumbnail.jpeg15-Mar-2023CBC_15Ieritano, ChristianOrca; 5.0.3; RELEASESingle pointDLPNO-CCSD(T)def2-TZVPP; def2-TZVPP/C-962.75918771; Eh
thumbnail.jpeg15-Mar-2023CBC_158Ieritano, ChristianOrca; 5.0.3; RELEASEGeometry optimization Minimum-def2-TZVPP-968.82111196; Eh
thumbnail.jpeg15-Mar-2023CBC_158Ieritano, ChristianOrca; 5.0.3; RELEASESingle pointDLPNO-CCSD(T)def2-TZVPP; def2-TZVPP/C-962.75145428; Eh
thumbnail.jpeg15-Mar-2023CBC_177Ieritano, ChristianOrca; 5.0.3; RELEASEGeometry optimization Minimum-def2-TZVPP-968.82650370; Eh
thumbnail.jpeg15-Mar-2023CBC_177Ieritano, ChristianOrca; 5.0.3; RELEASESingle pointDLPNO-CCSD(T)def2-TZVPP; def2-TZVPP/C-962.76336179; Eh
thumbnail.jpeg15-Mar-2023CBC_190Ieritano, ChristianOrca; 5.0.3; RELEASEGeometry optimization Minimum-def2-TZVPP-968.82707147; Eh
thumbnail.jpeg15-Mar-2023CBC_190Ieritano, ChristianOrca; 5.0.3; RELEASESingle pointDLPNO-CCSD(T)def2-TZVPP; def2-TZVPP/C-962.76335377; Eh
thumbnail.jpeg15-Mar-2023CBC_3058Ieritano, ChristianOrca; 5.0.3; RELEASEGeometry optimization Minimum-def2-TZVPP-968.82614589; Eh
thumbnail.jpeg15-Mar-2023CBC_3058Ieritano, ChristianOrca; 5.0.3; RELEASESingle pointDLPNO-CCSD(T)def2-TZVPP; def2-TZVPP/C-962.76479452; Eh
thumbnail.jpeg15-Mar-2023CBC_307Ieritano, ChristianOrca; 5.0.3; RELEASEGeometry optimization Minimum-def2-TZVPP-968.82601402; Eh
thumbnail.jpeg15-Mar-2023CBC_307Ieritano, ChristianOrca; 5.0.3; RELEASESingle pointDLPNO-CCSD(T)def2-TZVPP; def2-TZVPP/C-962.75896366; Eh
thumbnail.jpeg15-Mar-2023CBC_31Ieritano, ChristianOrca; 5.0.3; RELEASEGeometry optimization Minimum-def2-TZVPP-968.82700924; Eh
thumbnail.jpeg15-Mar-2023CBC_31Ieritano, ChristianOrca; 5.0.3; RELEASESingle pointDLPNO-CCSD(T)def2-TZVPP; def2-TZVPP/C-962.76062793; Eh
Showing results 1 to 20 of 473  next >